N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine

C14H20BrNO2 — CID 65324218

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOc1ccc(Br)c(CNC2CCCC2OC)c1
InChIInChI=1S/C14H20BrNO2/c1-17-11-6-7-12(15)10(8-11)9-16-13-4-3-5-14(13)18-2/h6-8,13-14,16H,3-5,9H2,1-2H3
InChIKeyHAGDLHNWRKKYPE-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.11
Rot. Bonds5

About N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine

N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine (PubChem CID 65324218) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine
PubChem CID65324218
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOc1ccc(Br)c(CNC2CCCC2OC)c1
InChIInChI=1S/C14H20BrNO2/c1-17-11-6-7-12(15)10(8-11)9-16-13-4-3-5-14(13)18-2/h6-8,13-14,16H,3-5,9H2,1-2H3
InChIKeyHAGDLHNWRKKYPE-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 63045556
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine
CID 102835320
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862194
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine
CID 62087491
2-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 82893823
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
trans-(2S,6S)-2,6-bis[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-one
CID 95387471
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371
N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 62223825

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine (CID 65324218) is N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine is COc1ccc(Br)c(CNC2CCCC2OC)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine?
The InChIKey is HAGDLHNWRKKYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-11-6-7-12(15)10(8-11)9-16-13-4-3-5-14(13)18-2/h6-8,13-14,16H,3-5,9H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine?
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine is sourced from PubChem (CID 65324218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).